Influence of High Pressure on the Pedal-like Motion and Photoreactivity in the Cocrystals of 1,2-Di(4-pyridyl)ethylene with trans-2-(4-Fluorophenyl)vinylboronic Acid
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00566047" target="_blank" >RIV/61388963:_____/23:00566047 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.cgd.2c00975" target="_blank" >https://doi.org/10.1021/acs.cgd.2c00975</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.cgd.2c00975" target="_blank" >10.1021/acs.cgd.2c00975</a>
Alternative languages
Result language
angličtina
Original language name
Influence of High Pressure on the Pedal-like Motion and Photoreactivity in the Cocrystals of 1,2-Di(4-pyridyl)ethylene with trans-2-(4-Fluorophenyl)vinylboronic Acid
Original language description
The photochemical properties of 1,2-di(4-pyridyl)ethylene (bpe) and trans-2-(4-fluorophenyl)vinylboronic acid (fpvb) cocrystals have been investigated using complementary techniques: single-crystal X-ray diffraction, including high-pressure experiments, solid-state and solution nuclear magnetic resonance, and density functional theory calculations. The photochemistry of bpe and fpvb cocrystals strongly depends on the arrangement of bpe molecules. The [2 + 2] photodimerization of bpe occurs in the case of the bpe/fpvb ratio of 1:1, while a ratio of 1:2 is observed in photoinert objects. In the photoreactive cocrystals, a pedal-like motion occurs in bpe molecules. This phenomenon strongly affects photoreactivity because it changes the mutual geometry of two reactant molecules. The intermolecular geometry and the kinetics of the pedal-like motion, and thereby, the kinetics of the [2 + 2] photodimerization of bpe, have been modified by means of high pressure.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA20-01472S" target="_blank" >GA20-01472S: NMR crystallography of disordered systems</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Crystal Growth & Design
ISSN
1528-7483
e-ISSN
1528-7505
Volume of the periodical
23
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
246-255
UT code for WoS article
000903277900001
EID of the result in the Scopus database
2-s2.0-85144296904